General Information of the Compound
| Compound ID |
CP0451939
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| Compound Name |
US9422235, 1
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| Structure |
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| Formula |
C19H20Cl2F3N3O3S
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| Molecular Weight |
498.354
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)NCCN1CCOCC1
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| InChI |
InChI=1S/C19H20Cl2F3N3O3S/c20-13-1-3-17(16(21)11-13)26-14-2-4-18(15(12-14)19(22,23)24)31(28,29)25-5-6-27-7-9-30-10-8-27/h1-4,11-12,25-26H,5-10H2
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| InChIKey |
HJQBIEJQZPGVPT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2